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Administrative data

Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Study period:
2002-02-18 to 2002-02-27
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2002
Report date:
2002

Materials and methods

Test guidelineopen allclose all
Qualifier:
according to guideline
Guideline:
OECD Guideline 105 (Water Solubility)
Deviations:
no
Qualifier:
according to guideline
Guideline:
EPA OPPTS 830.7840 (Water Solubility)
Deviations:
no
GLP compliance:
yes
Type of method:
flask method

Test material

Constituent 1
Chemical structure
Reference substance name:
1-BUTANESULFONAMIDE, 1,1,2,2,3,3,4,4,4-NONAFLUORO-N-METHYL-
EC Number:
614-396-3
Cas Number:
68298-12-4
Molecular formula:
C5H4F9NO2S
IUPAC Name:
1-BUTANESULFONAMIDE, 1,1,2,2,3,3,4,4,4-NONAFLUORO-N-METHYL-
Specific details on test material used for the study:
- Physical state: White Crystals
- Analytical purity: 97.25%
- Storage condition of test material: ambient

Results and discussion

Water solubility
Key result
Water solubility:
359 mg/L
Conc. based on:
test mat.
Loading of aqueous phase:
4 500 mg/L
Incubation duration:
3 d
Temp.:
24 °C
Remarks on result:
other: % RSD = 5.6%, pH not determined
Details on results:
Water solubility reported as µg/mL and corrected for purity.
The average measured solubility for day1 was 357 µg/mL with %RSD of 0.9% (n=12); the average measured solubility for day 2 was 340 µg/mL with %RSD of 3.1% (n=12); the average measured solubility for day 3 was 380 µg/mL with %RSD of 5.5% (n=12). An overall average value of 359 µg/mL was reported. The overall %RSD was 5.6% (n=36).

Any other information on results incl. tables

Table 1. Water solubility results of MeFBSA


































































































































































































 

Solubility Conc. (µg/mL)



Solubility Conc. (µg/mL)



Solubility Conc. (µg/mL)



Solubility Conc. (µg/mL)



Samples



Time Point 1


(One Day)



Time Point 2 (Two Days)



Time Point 3


(Three Days)



Inter-day Average



Vial 1, rep 1



358



341



359



 



Vial 1, rep 2



363



345



356



 



Vial 1, rep 3



353



359



361



 



Vial 1, rep 4



361



341



365



 



Vial 1 Average



359



346



360



 



Vial 1 RSD%



1.2%



2.5%



1.0%



 


 

 



 



 



 



Vial 2, rep 1



401



328



354



 



Vial 2, rep 2



332



314



391



 



Vial 2, rep 3



337



348



355



 



Vial 2, rep 4



344



322



417



 



Vial 2 Average



353



328



379



 



Vial 2 RSD%



9.0%



4.5%



8.1%



 


 

 



 



 



 



Vial 3, rep 1



369



347



378



 



Vial 3, rep 2



365



342



371



 



Vial 3, rep 3



352



351



448



 



Vial 3, rep 4



351



344



412



 



Vial 3 Average



359



346



402



 



Vial 3 RSD%



2.5%



1.1%



8.8%



 


 

 



 



 



 



Intra-day Average



357



340



380



 



Intra-day %RSD



0.9%



3.1%



5.5%



 



Inter-day Average



 



 



 



359



Inter-day %RSD



 



 



 



5.6%


Applicant's summary and conclusion

Conclusions:
Under the condition of the study, the water solubility of MeFBSA is 359 mg/L at 24-25 °C.
Executive summary:

The water solubility of MeFBSA was determined using a shake flask method according to OPPTS
830.7840 “Water Solubility: Column Elution Method; Shake Flask Method” and OECD Guideline for
Testing of Chemicals, Test No. 105 “Water Solubility”.


Triplicate samples were incubated for three time points at approximately 30°C with a shaker setting of
150 revolutions per minute (RPM). Test vessels were pulled at each time intervals and samples
were stored for overnight to equilibrate to ambient temperature. The test system vials were centrifuged and four aliquot samples were taken. The samples were diluted and analyzed by HPLC/MS.


Under conditions of this study, the average measured water solubility of MeFBSA was 359 mg/L (5.6% RSD).


This is a guideline study conducted under GLP compliance. Therefore, it is considered reliable without
restriction.